2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

C13H15N3OS2 — CID 62799810

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)N(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H15N3OS2/c14-13-15-10(8-19-13)5-12(17)16(11-1-2-11)6-9-3-4-18-7-9/h3-4,7-8,11H,1-2,5-6H2,(H2,14,15)
InChIKeyCGAHXMLVXRURCB-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 62799810) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID62799810
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)N(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H15N3OS2/c14-13-15-10(8-19-13)5-12(17)16(11-1-2-11)6-9-3-4-18-7-9/h3-4,7-8,11H,1-2,5-6H2,(H2,14,15)
InChIKeyCGAHXMLVXRURCB-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 61439572
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62797846
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484067
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
CID 62797687
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(2-methoxyethyl)acetamide
CID 62800322
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide (CID 62799810) is 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide is Nc1nc(CC(=O)N(Cc2ccsc2)C2CC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is CGAHXMLVXRURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-13-15-10(8-19-13)5-12(17)16(11-1-2-11)6-9-3-4-18-7-9/h3-4,7-8,11H,1-2,5-6H2,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 62799810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).